5-(4-aminocyclohexyl)oxy-N-[4-(benzenesulfonyl)phenyl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine

C24H24ClN5O3S — CID 58938304

IUPAC5-(4-aminocyclohexyl)oxy-N-[4-(benzenesulfonyl)phenyl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine
SMILESNC1CCC(Oc2cc(Nc3ccc(S(=O)(=O)c4ccccc4)cc3)n3ncc(Cl)c3n2)CC1
InChIInChI=1S/C24H24ClN5O3S/c25-21-15-27-30-22(14-23(29-24(21)30)33-18-10-6-16(26)7-11-18)28-17-8-12-20(13-9-17)34(31,32)19-4-2-1-3-5-19/h1-5,8-9,12-16,18,28H,6-7,10-11,26H2
InChIKeyWXWXBPMOCKVQAZ-UHFFFAOYSA-N
MW498.01 g/mol
LogP4.61
Rot. Bonds6

About 5-(4-aminocyclohexyl)oxy-N-[4-(benzenesulfonyl)phenyl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine

5-(4-aminocyclohexyl)oxy-N-[4-(benzenesulfonyl)phenyl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 58938304) has the molecular formula C24H24ClN5O3S and a molecular weight of 498.01 g/mol. Its IUPAC name is 5-(4-aminocyclohexyl)oxy-N-[4-(benzenesulfonyl)phenyl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(4-aminocyclohexyl)oxy-N-[4-(benzenesulfonyl)phenyl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID58938304
Molecular FormulaC24H24ClN5O3S
Molecular Weight498.01 g/mol
Exact Mass497.13
IUPAC Name5-(4-aminocyclohexyl)oxy-N-[4-(benzenesulfonyl)phenyl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine
SMILESNC1CCC(Oc2cc(Nc3ccc(S(=O)(=O)c4ccccc4)cc3)n3ncc(Cl)c3n2)CC1
InChIInChI=1S/C24H24ClN5O3S/c25-21-15-27-30-22(14-23(29-24(21)30)33-18-10-6-16(26)7-11-18)28-17-8-12-20(13-9-17)34(31,32)19-4-2-1-3-5-19/h1-5,8-9,12-16,18,28H,6-7,10-11,26H2
InChIKeyWXWXBPMOCKVQAZ-UHFFFAOYSA-N
XLogP4.61
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.01
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[3-chloro-5-[(3R)-pyrrolidin-3-yl]oxypyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 58938429
5-cyclohexyloxy-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 58938308
5-N-(4-aminocyclohexyl)-3-ethyl-7-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 58938394
4-[[5-[(4-aminocyclohexyl)amino]-3-methylsulfonylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 58938326
3-bromo-5-(2-chlorophenyl)-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10435170
CID 89357786
CID 89357786
5-[(4-aminocyclohexyl)amino]-7-(3-chloro-4-fluoroanilino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 10250350
4-aminobenzenesulfonamide;4-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;cyclohexanol;4-[(5-cyclohexyloxy-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide;5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine;methanol
CID 158573290
3-bromo-5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10046634
5-chloro-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 23645575
CID 89055607
CID 89055607
N-(2-aminoethyl)-4-[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide
CID 10480592

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminocyclohexyl)oxy-N-[4-(benzenesulfonyl)phenyl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(4-aminocyclohexyl)oxy-N-[4-(benzenesulfonyl)phenyl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine (CID 58938304) is 5-(4-aminocyclohexyl)oxy-N-[4-(benzenesulfonyl)phenyl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(4-aminocyclohexyl)oxy-N-[4-(benzenesulfonyl)phenyl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(4-aminocyclohexyl)oxy-N-[4-(benzenesulfonyl)phenyl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine is NC1CCC(Oc2cc(Nc3ccc(S(=O)(=O)c4ccccc4)cc3)n3ncc(Cl)c3n2)CC1.
What is the InChIKey of 5-(4-aminocyclohexyl)oxy-N-[4-(benzenesulfonyl)phenyl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is WXWXBPMOCKVQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3S/c25-21-15-27-30-22(14-23(29-24(21)30)33-18-10-6-16(26)7-11-18)28-17-8-12-20(13-9-17)34(31,32)19-4-2-1-3-5-19/h1-5,8-9,12-16,18,28H,6-7,10-11,26H2.
What are the key properties of 5-(4-aminocyclohexyl)oxy-N-[4-(benzenesulfonyl)phenyl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine?
5-(4-aminocyclohexyl)oxy-N-[4-(benzenesulfonyl)phenyl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 498.01 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminocyclohexyl)oxy-N-[4-(benzenesulfonyl)phenyl]-3-chloropyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 58938304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).